Crystallography Open Database

Information card for entry 2238865

Preview

Coordinates	2238865.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{4-[(<i>E</i>)-2-(1<i>H</i>-indol-3-yl)ethenyl]-1-methylpyridinium} 4-chlorobenzenesulfonate nitrate
Formula	C38 H34 Cl N5 O6 S
Calculated formula	C38 H34 Cl N5 O6 S
Title of publication	Bis{4-[(<i>E</i>)-2-(1<i>H</i>-indol-3-yl)ethenyl]-1-methylpyridinium} 4-chlorobenzenesulfonate nitrate
Authors of publication	Fun, Hoong-Kun; Quah, Ching Kheng; Boonnak, Nawong; Chantrapromma, Suchada
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1753 - o1754
a	8.754 ± 0.0007 Å
b	13.6648 ± 0.001 Å
c	15.3465 ± 0.0011 Å
α	97.206 ± 0.001°
β	91.186 ± 0.002°
γ	99.924 ± 0.001°
Cell volume	1792.3 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.2312
Weighted residual factors for all reflections included in the refinement	0.2541
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238865.cif
171761	2015-12-30	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2.	2238865.cif
92171	2014-01-12	cif/ Adding structures of 2238865 via cif-deposit CGI script.	2238865.cif